N-cyclopentyl-2-[methyl(phenyl)amino]-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
N-cyclopentyl-2-[methyl(phenyl)amino]-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
N-cyclopentyl-2-[methyl(phenyl)amino]-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | C094-2396 |
| Compound Name: | N-cyclopentyl-2-[methyl(phenyl)amino]-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C21 H23 N3 O5 |
| Smiles: | CN(C(C(NC1CCCC1)=O)c1cc2c(cc1[N+]([O-])=O)OCO2)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6958 |
| logD: | 3.6958 |
| logSw: | -4.0027 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.685 |
| InChI Key: | NQJDAEOILICVLW-HXUWFJFHSA-N |